N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]propionamide Formula: C18H25ClN4O2S MolecularWeight: 396.9347

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(C)C)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C(C)C)Cl

InChI

InChI=1S/C18H25ClN4O2S/c1-4-16(24)21-18(26)20-13-5-6-15(14(19)11-13)22-7-9-23(10-8-22)17(25)12(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H2,20,21,24,26)